N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

C11H16N2O4S2 — CID 2928889

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-4-6-11(7-5-10)19(16,17)13-8-2-3-9-13/h4-7,12H,2-3,8-9H2,1H3
InChIKeyHXNOBARAJMZKMB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.84
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 2928889) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID2928889
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-4-6-11(7-5-10)19(16,17)13-8-2-3-9-13/h4-7,12H,2-3,8-9H2,1H3
InChIKeyHXNOBARAJMZKMB-UHFFFAOYSA-N
XLogP0.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (CID 2928889) is N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is HXNOBARAJMZKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-18(14,15)12-10-4-6-11(7-5-10)19(16,17)13-8-2-3-9-13/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 2928889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).